Basic information
- CAS
75680-27-2- Standard SMILES
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3- InChIKey
WGVJNQGTZSPMCY-RPBBZJPTSA-N- Molecular formula
- C20H26O7
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16785316
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),6R*,7S*,9R*,10Z,11aR*))-
- IUPAC
- [(1R,2Z,4R,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (E)-2-methylbut-2-enoate
Names & synonyms
BRN 514440375680-27-22-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,8,9,11a-decahydro-7,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),6R*,7S*,9R*,10Z,11aR*))-
Database identifiers
- CAS
75680-27-2- PubChem CID
- 5320177
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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